1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine

C60H44N2 — CID 177294620

About 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine

1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine (PubChem CID 177294620) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine.

Molecular Properties

• Compound Name: 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine
• PubChem CID: 177294620
• Molecular Formula: C60H44N2
• Molecular Weight: 793.03 g/mol
• Exact Mass: 792.35
• IUPAC Name: 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3-n3c4ccccc4c4ccccc43)ccc21
• InChI: InChI=1S/C60H44N2/c1-59(2)51-26-14-10-21-43(51)49-35-37(30-33-52(49)59)61(38-29-31-44-42-20-9-13-25-50(42)60(3,4)53(44)36-38)56-34-32-48-41-19-6-5-17-39(41)40-18-7-8-24-47(40)57(48)58(56)62-54-27-15-11-22-45(54)46-23-12-16-28-55(46)62/h5-36H,1-4H3
• InChIKey: ANNDOVVOPQUJRK-UHFFFAOYSA-N
• XLogP: 16.33
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.03
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine?

The IUPAC name of 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine (CID 177294620) is 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine.

What is the SMILES notation for 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine?

The canonical SMILES for 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3-n3c4ccccc4c4ccccc43)ccc21.

What is the InChIKey of 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine?

The InChIKey is ANNDOVVOPQUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-59(2)51-26-14-10-21-43(51)49-35-37(30-33-52(49)59)61(38-29-31-44-42-20-9-13-25-50(42)60(3,4)53(44)36-38)56-34-32-48-41-19-6-5-17-39(41)40-18-7-8-24-47(40)57(48)58(56)62-54-27-15-11-22-45(54)46-23-12-16-28-55(46)62/h5-36H,1-4H3.

What are the key properties of 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine?

1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine has a molecular weight of 793.03 g/mol, XLogP of 16.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine is sourced from PubChem (CID 177294620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).